7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol

C12H20O3 — CID 76955089

IUPAC7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
SMILESCC12CCC3(CC1CCC2O)OCCO3
InChIInChI=1S/C12H20O3/c1-11-4-5-12(14-6-7-15-12)8-9(11)2-3-10(11)13/h9-10,13H,2-8H2,1H3
InChIKeyXCNYSZSTINEICZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.69
Rot. Bonds

About 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol

7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol (PubChem CID 76955089) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol.

Molecular Properties

Compound Name7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
PubChem CID76955089
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
SMILESCC12CCC3(CC1CCC2O)OCCO3
InChIInChI=1S/C12H20O3/c1-11-4-5-12(14-6-7-15-12)8-9(11)2-3-10(11)13/h9-10,13H,2-8H2,1H3
InChIKeyXCNYSZSTINEICZ-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
The IUPAC name of 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol (CID 76955089) is 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol.
What is the SMILES notation for 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
The canonical SMILES for 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol is CC12CCC3(CC1CCC2O)OCCO3.
What is the InChIKey of 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
The InChIKey is XCNYSZSTINEICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11-4-5-12(14-6-7-15-12)8-9(11)2-3-10(11)13/h9-10,13H,2-8H2,1H3.
What are the key properties of 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol?
7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol has a molecular weight of 212.29 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol is sourced from PubChem (CID 76955089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).